N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide

C22H24ClN3O2S — CID 66803474

IUPACN-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCN2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)c1
InChIInChI=1S/C22H24ClN3O2S/c1-16-3-2-4-19(13-16)29(27,28)25-9-12-26-10-7-17(8-11-26)21-15-24-22-6-5-18(23)14-20(21)22/h2-7,13-15,24-25H,8-12H2,1H3
InChIKeyJZITTWLVHKXCFK-UHFFFAOYSA-N
MW429.97 g/mol
LogP4.20
Rot. Bonds6

About N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide

N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide (PubChem CID 66803474) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide
PubChem CID66803474
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC NameN-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCN2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)c1
InChIInChI=1S/C22H24ClN3O2S/c1-16-3-2-4-19(13-16)29(27,28)25-9-12-26-10-7-17(8-11-26)21-15-24-22-6-5-18(23)14-20(21)22/h2-7,13-15,24-25H,8-12H2,1H3
InChIKeyJZITTWLVHKXCFK-UHFFFAOYSA-N
XLogP4.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 216468
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CID 6918836
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Dansyltryptamine
CID 582771
Tepirindole
CID 68915
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
N-{2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 11677372
1-(p-Toluenesulfonyl)tryptamine
CID 14571158

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide (CID 66803474) is N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCCN2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)c1.
What is the InChIKey of N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide?
The InChIKey is JZITTWLVHKXCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-16-3-2-4-19(13-16)29(27,28)25-9-12-26-10-7-17(8-11-26)21-15-24-22-6-5-18(23)14-20(21)22/h2-7,13-15,24-25H,8-12H2,1H3.
What are the key properties of N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide?
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide has a molecular weight of 429.97 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 66803474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).